BDBM29357 proline scaffold, 6

SMILES: CCCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=NDXDMVWHUYNMJE-NRFANRHFSA-N

Data: 1 IC50  1 Kd

PDB links: 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 29357   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM29357 (proline scaffold, 6) Show SMILES CCCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-2-15-24-23(27)21-14-9-16-25(21)22(26)17-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-21H,2,9,14-17H2,1H3,(H,24,27)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	2.70E+5	n/a	n/a	n/a	7.4	37
University of Kalmar					Assay Description SPR experiments where performed with a Biacore A100 using Series S sensor chip CM5 (GE Healthcare Bio-Sciences AB, Uppsala, Sweden). The proteins wer...				J Med Chem 52: 2708-15 (2009) Article DOI: 10.1021/jm8011849 BindingDB Entry DOI: 10.7270/Q2H130B7
					More data for this Ligand-Target Pair